4-(dipropylamino)nonyl 2-methylprop-2-enoate

C19H37NO2 — CID 102118100

IUPAC4-(dipropylamino)nonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(CCCCC)N(CCC)CCC
InChIInChI=1S/C19H37NO2/c1-6-9-10-12-18(20(14-7-2)15-8-3)13-11-16-22-19(21)17(4)5/h18H,4,6-16H2,1-3,5H3
InChIKeyACYNLXCZWCKZFJ-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.96
Rot. Bonds14

About 4-(dipropylamino)nonyl 2-methylprop-2-enoate

4-(dipropylamino)nonyl 2-methylprop-2-enoate (PubChem CID 102118100) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 4-(dipropylamino)nonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(dipropylamino)nonyl 2-methylprop-2-enoate
PubChem CID102118100
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name4-(dipropylamino)nonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(CCCCC)N(CCC)CCC
InChIInChI=1S/C19H37NO2/c1-6-9-10-12-18(20(14-7-2)15-8-3)13-11-16-22-19(21)17(4)5/h18H,4,6-16H2,1-3,5H3
InChIKeyACYNLXCZWCKZFJ-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(dipropylamino)decyl 2-methylprop-2-enoate
CID 102118110
8-(dipropylamino)nonyl 2-methylprop-2-enoate
CID 102118104
7-(diethylamino)decyl 2-methylprop-2-enoate
CID 102118085
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
4-tert-butyldodecyl 2-methylprop-2-enoate
CID 151688147
8-propyltetradecyl 2-methylprop-2-enoate
CID 156690480
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)nonyl 2-methylprop-2-enoate?
The IUPAC name of 4-(dipropylamino)nonyl 2-methylprop-2-enoate (CID 102118100) is 4-(dipropylamino)nonyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(dipropylamino)nonyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(dipropylamino)nonyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(CCCCC)N(CCC)CCC.
What is the InChIKey of 4-(dipropylamino)nonyl 2-methylprop-2-enoate?
The InChIKey is ACYNLXCZWCKZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-6-9-10-12-18(20(14-7-2)15-8-3)13-11-16-22-19(21)17(4)5/h18H,4,6-16H2,1-3,5H3.
What are the key properties of 4-(dipropylamino)nonyl 2-methylprop-2-enoate?
4-(dipropylamino)nonyl 2-methylprop-2-enoate has a molecular weight of 311.51 g/mol, XLogP of 4.96, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)nonyl 2-methylprop-2-enoate is sourced from PubChem (CID 102118100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).